2-[[2-phenyl-1-(2-phenyl-1H-indol-3-yl)ethylidene]amino]guanidine

C23H21N5 — CID 136647620

IUPAC2-[[2-phenyl-1-(2-phenyl-1H-indol-3-yl)ethylidene]amino]guanidine
SMILESNC(N)=NN=C(Cc1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H21N5/c24-23(25)28-27-20(15-16-9-3-1-4-10-16)21-18-13-7-8-14-19(18)26-22(21)17-11-5-2-6-12-17/h1-14,26H,15H2,(H4,24,25,28)
InChIKeyXWTBKDSDAZDPES-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.06
Rot. Bonds5

About 2-[[2-phenyl-1-(2-phenyl-1H-indol-3-yl)ethylidene]amino]guanidine

2-[[2-phenyl-1-(2-phenyl-1H-indol-3-yl)ethylidene]amino]guanidine (PubChem CID 136647620) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is 2-[[2-phenyl-1-(2-phenyl-1H-indol-3-yl)ethylidene]amino]guanidine.

Molecular Properties

Compound Name2-[[2-phenyl-1-(2-phenyl-1H-indol-3-yl)ethylidene]amino]guanidine
PubChem CID136647620
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC Name2-[[2-phenyl-1-(2-phenyl-1H-indol-3-yl)ethylidene]amino]guanidine
SMILESNC(N)=NN=C(Cc1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H21N5/c24-23(25)28-27-20(15-16-9-3-1-4-10-16)21-18-13-7-8-14-19(18)26-22(21)17-11-5-2-6-12-17/h1-14,26H,15H2,(H4,24,25,28)
InChIKeyXWTBKDSDAZDPES-UHFFFAOYSA-N
XLogP4.06
TPSA92.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-phenyl-1-(2-phenyl-1H-indol-3-yl)ethylidene]amino]guanidine?
The IUPAC name of 2-[[2-phenyl-1-(2-phenyl-1H-indol-3-yl)ethylidene]amino]guanidine (CID 136647620) is 2-[[2-phenyl-1-(2-phenyl-1H-indol-3-yl)ethylidene]amino]guanidine.
What is the SMILES notation for 2-[[2-phenyl-1-(2-phenyl-1H-indol-3-yl)ethylidene]amino]guanidine?
The canonical SMILES for 2-[[2-phenyl-1-(2-phenyl-1H-indol-3-yl)ethylidene]amino]guanidine is NC(N)=NN=C(Cc1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 2-[[2-phenyl-1-(2-phenyl-1H-indol-3-yl)ethylidene]amino]guanidine?
The InChIKey is XWTBKDSDAZDPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5/c24-23(25)28-27-20(15-16-9-3-1-4-10-16)21-18-13-7-8-14-19(18)26-22(21)17-11-5-2-6-12-17/h1-14,26H,15H2,(H4,24,25,28).
What are the key properties of 2-[[2-phenyl-1-(2-phenyl-1H-indol-3-yl)ethylidene]amino]guanidine?
2-[[2-phenyl-1-(2-phenyl-1H-indol-3-yl)ethylidene]amino]guanidine has a molecular weight of 367.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-phenyl-1-(2-phenyl-1H-indol-3-yl)ethylidene]amino]guanidine is sourced from PubChem (CID 136647620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).